9-(5-O-Phosphono-β-D-Xylofuranosyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C10H14N5O7P
IUPAC Name [(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 347.221 g·mol−1
Heat of Formation -1322.4 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 349.74 Å 3
Surface Area 303.48 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
InChIKey UDMBCSSLTHHNCD-GAWUUDPSSA-N
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